Z-Glu-OtBu

CAT: 0926-FG41772Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FG41772Size:100 g

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CAS Number

5891-45-2

MDL Number

MFCD00077016

Smiles

CC (C) (C) OC (=O) [C@H] (CCC (=O) O) NC (=O) OCC1=CC=CC=C1

Molecular Formula

C17H23NO6

Molecular Weight

337.37 g/mol

Controlled

Chemical Information

Z-Glu-OtBu

CAS Number	5891-45-2
PubChem CID	6994036
IUPAC Name	(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
Molecular Formula	C17H23NO6
Molecular Weight	337.4
XLogP	2.2
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	24
Formal Charge	0
Complexity	437

SMILES

CC(C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H23NO6/c1-17(2,3)24-15(21)13(9-10-14(19)20)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1

InChIKey

VJECGKAFPHEJQS-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 5891-45-2

CID: 6994036

Formula: C17H23NO6

MW: 337.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.4
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	337.15253745
Monoisotopic Mass	337.15253745
Topological Polar Surface Area	102 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	437
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FI111570-01	Z-Ile-Glu (OtBu) -Ala-Leu-aldehyde
IAT-3169-V	Z-Ile-Glu (OtBu) -Ala-Leu-H (aldehyde)
FF39460-01	Fmoc-D-glu-OtBu
FF15874-01	Fmoc-L-Glu-OtBu
FB39385-01	Boc-glu (OtBu) -OH
FG72136-01	H-D-Glu-OtBu
FF28968-01	Fmoc-Glu (OtBu) -OH
FF161489-01	Fmoc-Glu (OtBu) -Glu (OtBu) -Ser (Psi (Me, Me) pro) -OH
FA111567-01	Z-Arg (Mtr) -OtBu
FA111050-01	Z-Asp (OtBu) -bromomethylketone